SCHEMBL3071398

SCHEMBL3071398

FC(F)(F)c1nnc2n1N=C(N1CCNCC1)CC2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.56
KCNH2 Q12809 1/20 0.56
ADRB2 P07550 4/20 0.35
ADRB1 P08588 3/20 0.34
NCF1 P14598 2/20 0.34
KDM4E B2RXH2 1/20 0.33
EPHX2 P34913 1/20 0.33
HRH1 P35367 2/20 0.32
HTR2C P28335 2/20 0.31
HTR3E A5X5Y0 1/20 0.31
HTR3B O95264 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTR1D P28221 1/20 0.31
HTR3A P46098 1/20 0.31
HTR3D Q70Z44 1/20 0.31
HTR3C Q8WXA8 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
USP2 O75604 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3075089 0.74 AR (0.69) ARKCNH2HRH1
SCHEMBL3067458 0.73 AR (0.50) ARKCNH2ALDH1A1USP2SMN1; SMN2
SCHEMBL3065313 0.68 AR (0.68) ARKCNH2
SCHEMBL3841455 0.68 DPP4 (0.34) ADRB2ADRB1KDM4EEPHX2HTR2C
SCHEMBL3068954 0.67 AR (0.72) ARKCNH2HRH1
SCHEMBL212149 0.63 MGLL (0.36) TDP1
Hydrochloric Acid SCHEMBL332198 0.62 MGLL (0.35)
SCHEMBL3789905 0.59 AR (0.36) ARKCNH2ALDH1A1MAPT
SCHEMBL2266118 0.58 HTT (0.74) ARKCNH2ADRB2ALDH1A1SMN1; SMN2
SCHEMBL2267793 0.58 SCN5A (0.48) ADRB2ADRB1NCF1EPHX2HTR2C

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130203714-A1 CHEMICAL COMPOUNDS - 643 ASTRAZENECA R&D (SE) 2013-08-08 US disclosed
EP-2396333-B1 TRIAZOLO[4,3-B]PYRIDAZINE DERIVATIVES AND THEIR USES FOR PROSTATE CANCER ASTRAZENECA AB (SE) 2013-07-03 EP disclosed
US-8258140-B2 Chemical compounds—643 ASTRAZENECA AB (SE) 2012-09-04 US disclosed
EP-2396333-A1 TRIAZOLO [4,3-B]PYRIDAZINE DERIVATIVES AND THEIR USES FOR PROSTATE CANCER AstraZeneca AB (SE) 2011-12-21 EP disclosed
US-20100267699-A1 CHEMICAL COMPOUNDS - 643 ASTRAZENECA R&D 2010-10-21 US disclosed
WO-2010092371-A1 TRIAZOLO [4,3-B] PYRIDAZINE DERIVATIVES AND THEIR USES FOR PROSTATE CANCER ASTRAZENECA AB (SE) 2010-08-19 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130203714-A1 CHEMICAL COMPOUNDS - 643 AR, KLK3, ESRRA AR 1/4885KCNH2 2070/4885ADRB2 304/4885
US-20100267699-A1 CHEMICAL COMPOUNDS - 643 AR, KLK3, ESRRA AR 1/4885KCNH2 1878/4885ADRB2 267/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.